4-(Piperidin-4-YL)thiomorpholine 1,1-dioxide dihydrochloride - ≥98% , CAS No.1403766-89-1

CAS: 1403766-89-1 Cat. No.: P1062182 Peso molecular: 291.24 Número EC: 185-075-9 PubChem CID: 71758395

GRADE & PURITY ≥98%

Storage

Room temperature

Specifications

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Room temperature

Pureza

≥98%

Nombres e identificadores

• Sonrisas canónicas: C1CNCCC1N2CCS(=O)(=O)CC2.Cl.Cl
• IUPAC Name: 4-piperidin-4-yl-1,4-thiazinane 1,1-dioxide;dihydrochloride
• InChIKey: TUOGZOALMDFMOL-UHFFFAOYSA-N
• INCHI: 1S/C9H18N2O2S.2ClH/c12-14(13)7-5-11(6-8-14)9-1-3-10-4-2-9;;/h9-10H,1-8H2;2*1H
• Isómeros SMILES: C1CNCCC1N2CCS(=O)(=O)CC2.Cl.Cl
• PubChem CID: 71758395
• Peso molecular: 291.24

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Piperidines
      • Subclass Aminopiperidines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Piperidines
• Subclass: Aminopiperidines
• Intermediate Tree Nodes: Not available
• Direct Parent: Aminopiperidines
• Alternative Parents: Thiomorpholines Sulfones Trialkylamines Dialkylamines Azacyclic compounds Organic oxides Hydrochlorides Hydrocarbon derivatives
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: 4-aminopiperidine - 1,4-thiazinane - Sulfone - Tertiary amine - Tertiary aliphatic amine - Secondary aliphatic amine - Secondary amine - Azacycle - Amine - Hydrochloride - Hydrocarbon derivative - Organic oxide - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Aliphatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as aminopiperidines. These are compounds containing a piperidine that carries an amino group.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Propiedades químicas y físicas

• Peso molecular: 291.240 g/mol
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 290.062 Da
• Monoisotopic Mass: 290.062 Da
• Topological Polar Surface Area: 57.800 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 264.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 3

XLogP3